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If you run into troubles, it is always a good habit to report the following information:
as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.
This information helps us a lot when figuring out what is going on with your compilation
- the way build.mrcc was invoked
- the output of build.mrcc
- compiler version (for example: ifort -V, gfortran -v)
- blas/lapack versions
- as well as gcc and glibc versions
as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.
This information helps us a lot when figuring out what is going on with your compilation
gfortran cannot compile xmrcc.f
- kipeters
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2 years 5 months ago #1229
by kipeters
gfortran cannot compile xmrcc.f was created by kipeters
Hi,
I'm attempting to compile the latest MRCC with gfortran 10.2.1, but xmrcc.f throws the error:
3962 | call rospc(wspc2,wspc3,nvirtoldact,noccoldact,wsmax)
| 1
Error: Actual argument contains too few elements for dummy argument 'iadd' (2/13) at (1)
xmrcc.f:3963:39:
Perhaps there is a patch for this, but I can't determine what the correct file extension is in the patch downloads for xmrcc.
best regards, -Kirk
I'm attempting to compile the latest MRCC with gfortran 10.2.1, but xmrcc.f throws the error:
3962 | call rospc(wspc2,wspc3,nvirtoldact,noccoldact,wsmax)
| 1
Error: Actual argument contains too few elements for dummy argument 'iadd' (2/13) at (1)
xmrcc.f:3963:39:
Perhaps there is a patch for this, but I can't determine what the correct file extension is in the patch downloads for xmrcc.
best regards, -Kirk
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- kallay
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- Mihaly Kallay
2 years 5 months ago #1230
by kallay
Best regards,
Mihaly Kallay
Replied by kallay on topic gfortran cannot compile xmrcc.f
Dear Kirik,
Now you will find a patch for xmrcc.f that (hopefully) fixes this problem.
Now you will find a patch for xmrcc.f that (hopefully) fixes this problem.
Best regards,
Mihaly Kallay
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- pdupre
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2 years 5 months ago #1231
by pdupre
Replied by pdupre on topic gfortran cannot compile xmrcc.f
Hello,
I do have a similar issue
Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2)
mrcc.f:3003:16:
3003 | $dcore(jj),absind,icore(kk),ltpr,tprtol,crf,lcvs,ncvs,cvsorb)
| 1
Error: Rank mismatch in argument ‘absind’ at (1) (rank-2 and scalar)
mrcc.f:3012:72:
Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)
dfintloc.f:3614:17:
3614 | $gexp,gcoef,coord,ncartmax,ctostr,cartg,nsphermax,cf,boysval,
| 1
Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)
Compiling mrcc_manager with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Compiling mrcc_manager_main with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Compiling mrcc with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Do I need the patch ?
Thanks;
I do have a similar issue
Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2)
mrcc.f:3003:16:
3003 | $dcore(jj),absind,icore(kk),ltpr,tprtol,crf,lcvs,ncvs,cvsorb)
| 1
Error: Rank mismatch in argument ‘absind’ at (1) (rank-2 and scalar)
mrcc.f:3012:72:
Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)
dfintloc.f:3614:17:
3614 | $gexp,gcoef,coord,ncartmax,ctostr,cartg,nsphermax,cf,boysval,
| 1
Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)
Compiling mrcc_manager with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Compiling mrcc_manager_main with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Compiling mrcc with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8 -DGNU -DINT64 -fopenmp -DOMP
Do I need the patch ?
Thanks;
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- kipeters
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2 years 5 months ago #1232
by kipeters
Replied by kipeters on topic gfortran cannot compile xmrcc.f
success! thank you, -Kirk
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- pdupre
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2 years 5 months ago #1241
by pdupre
Replied by pdupre on topic gfortran cannot compile xmrcc.f
A solution is to use the option
-std=legacy
-std=legacy
The following user(s) said Thank You: rayxalapa
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- kipeters
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2 years 5 months ago #1242
by kipeters
Replied by kipeters on topic gfortran cannot compile xmrcc.f
thanks!
-Kirk
-Kirk
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